Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Relative binding free energies in mutations involving structural water replacement obtained with QMPFF3 force field (kcal/mol)
| Mutation | Trypsin | Thrombin | uPA |
|---|---|---|---|
| 1→1dryed | 3.4 (3) | 4.8 (3) | 0.5 (2) |
| 1dryed→2dryed | −0.8 (3) | −0.2 (3) | 0.0 (3) |
| 1→2dryed* | 2.1 (4) | 4.9 (3) | 0.8 (3) |
| cycle closure | 0.5 (6) | −0.3 (5) | −0.3 (5) |
*Results for 1→2dryed are taken from Table 2.
